SCHEMBL12371781

SCHEMBL12371781

O=c1[nH]c2cnc(NCCC3CCCCN3)nc2n1Cc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.40
F2 P00734 3/20 0.39
USP1 O94782 2/20 0.39
PDE9A O76083 2/20 0.39
CACNA1G O43497 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
HTT P42858 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
OPRM1 P35372 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12398979 0.90 POLB (0.41) F2USP1JAK2JAK3ADORA3
SCHEMBL12371785 0.89 BCDIN3D (0.41) HTR3AUSP1PDE9AJAK2JAK3
SCHEMBL12371758 0.82 CACNA1G (0.44) HTR3AUSP1CACNA1GALDH1A1TSHR
SCHEMBL12371797 0.81 ALDH1A1 (0.43) HTR3AUSP1MEN1KMT2AJAK2
SCHEMBL12371700 0.80 CYP2C9 (0.54) USP1PDE9AJAK2JAK3ALDH1A1
SCHEMBL12371660 0.79 PRKCQ (0.46) USP1MEN1KMT2AJAK2JAK3
SCHEMBL12371789 0.79 CACNA1G (0.49) HTR3ACACNA1GMEN1KMT2AALDH1A1
SCHEMBL12371697 0.79 PRKCQ (0.43) USP1PDE9AJAK2JAK3ALDH1A1
SCHEMBL12371727 0.78 PRKCQ (0.49) USP1MEN1KMT2AJAK2JAK3
SCHEMBL12371731 0.78 USP1 (0.44) USP1MEN1KMT2AALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PRKCE, PRKCH, PRKCQ HTR3A 1285/4885F2 3955/4885USP1 3620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.